Serrao, Claudy Rayan ; Kundu, Asish K. ; Krupanidhi, S. B. ; Waghmare, Umesh V. ; Rao, C. N. R. (2005) Biferroic YCrO3 Physical Review B, 72 (22). 220101_1-220101_4. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v72/i22/e220101
Related URL: http://dx.doi.org/10.1103/PhysRevB.72.220101
YCrO3, which has a monoclinic structure, shows weak ferromagnetism below 140 K (TN) and a ferroelectric transition at 473 K accompanied by hysteresis. We have determined the structure and energetics of YCrO3 with ferromagnetic and antiferromagnetic ordering by means of first-principles density functional theory calculations, based on pseudopotentials and a plane-wave basis. The noncentrosymmetric monoclinic structure is found to be lower in energy than the orthorhombic structure, supporting the biferroic nature of YCrO3.
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|Deposited On:||17 Nov 2010 17:44|
|Last Modified:||06 Jun 2011 10:02|
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